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Sources
556
Source:
http://linkedlifedata.com/resource/chembl/compound/556
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Subject
(
33
)
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Inference
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Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6-/m1/s1
chemicalCompound:standardIn...
MOYKHGMNXAOIAT-JGWLITMVSA-N
chemicalCompound:canonicalS...
[O-][N+](=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+](=O)[O-]
chemicalCompound:molecularF...
C6H8N2O8
chemicalCompound:moleculeId
556
chemicalCompound:mwFreebase
236.136
chemicalCompound:alogp
3.413
chemicalCompound:hba
8
chemicalCompound:hbd
0
chemicalCompound:psa
128.56
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
N
chemicalCompound:acdLogP
0.947
chemicalCompound:acdLogD
0.947
chemicalCompound:fullMwt
236.136
chemicalCompound:chemblId
CHEMBL6622
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:100556
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:chebiParen...
https://linkedlifedata.com/resource/chebi/id/CHEBI:6061
chemicalCompound:activity
activity:4642179